Er20Ir7Os4Pt

高熵材料 HEA

MP-ID: mp-3296147 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Er20Ir7Os4Pt

MP-ID

mp-3296147

Elements

Sites

Density

12.9429

g/cm³

Volume

724.46

Å³

Cell a

10.6736

Cell b

10.6736

Cell c

6.3591

α Angle

90.00

β Angle

90.00

γ Angle

89.82

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
11.71	7.5589	4.6	(1,1,0)
11.74	7.5358	3.9	(1,-1,0)
16.61	5.3368	16.5	(2,0,0)
23.28	3.8206	18.8	(2,1,-1)
23.28	3.8204	17.9	(2,1,1)
23.32	3.8146	18.1	(2,-1,-1)
23.32	3.8145	17.6	(2,-1,1)
23.54	3.7795	5.7	(2,2,0)
23.61	3.7679	5.7	(2,-2,0)
28.06	3.1796	9.5	(0,0,2)
29.31	3.0473	14.0	(1,0,-2)
29.31	3.0472	15.6	(1,0,2)
29.95	2.9835	40.0	(3,1,-1)
29.95	2.9834	34.7	(3,1,1)
29.99	2.9792	39.4	(3,-1,-1)
29.99	2.9792	36.4	(3,-1,1)
32.79	2.7316	26.5	(2,0,-2)
32.79	2.7315	26.5	(2,0,2)
33.35	2.6869	36.3	(3,2,-1)
33.35	2.6868	41.1	(3,2,1)
33.43	2.6807	37.0	(3,-2,-1)
33.43	2.6806	37.2	(3,-2,1)
33.86	2.6473	42.2	(2,1,-2)
33.86	2.6472	42.2	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.80488

eV/atom

Energy/atom

-41.69403

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.6940

eV/atom

Volume/atom

22.64

Å³

c/a Ratio

0.5958

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0023

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9944

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2678

J/mol·K

Ω Parameter

16.9513

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.807%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4682

smaller = more stable mixing

VEC

10.781

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.074

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7173

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnyx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296147

Reference Citation

The crystal structure and related material properties of Er20Ir7Os4Pt were obtained from the Materials Project database (MP-ID: mp-3296147, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Er20Ir7Os4Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67356436
_cell_length_b   10.67356436
_cell_length_c   6.35909621
_cell_angle_alpha   90.00216384
_cell_angle_beta   90.00216384
_cell_angle_gamma   89.82450869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er20Ir7Os4Pt
_chemical_formula_sum   'Er20 Ir7 Os4 Pt1'
_cell_volume   724.45648458
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Er  Er0  1  0.29259831  0.08526881  0.37633505  1.0
  Er  Er1  1  0.29391844  0.91383683  0.87626176  1.0
  Er  Er2  1  0.70416533  0.08403786  0.87223872  1.0
  Er  Er3  1  0.70457050  0.91085596  0.37814945  1.0
  Er  Er4  1  0.58558565  0.79285254  0.87711329  1.0
  Er  Er5  1  0.58194940  0.20641684  0.37596717  1.0
  Er  Er6  1  0.41344123  0.79303039  0.37679848  1.0
  Er  Er7  1  0.41360333  0.20628008  0.87672873  1.0
  Er  Er8  1  0.20714746  0.41441435  0.62288671  1.0
  Er  Er9  1  0.20696961  0.58655877  0.12320152  1.0
  Er  Er10  1  0.79358316  0.41805060  0.12403283  1.0
  Er  Er11  1  0.79371992  0.58639667  0.62327127  1.0
  Er  Er12  1  0.91473119  0.70740169  0.12366495  1.0
  Er  Er13  1  0.91596214  0.29583467  0.62776128  1.0
  Er  Er14  1  0.08616317  0.70608156  0.62373824  1.0
  Er  Er15  1  0.08914404  0.29542950  0.12185055  1.0
  Er  Er16  1  0.00069620  0.99836254  0.50116679  1.0
  Er  Er17  1  0.00163746  0.99930380  0.99883321  1.0
  Er  Er18  1  0.50000792  0.49947326  0.99959707  1.0
  Er  Er19  1  0.50052674  0.49999208  0.50040293  1.0
  Ir  Ir20  1  0.84825694  0.84912891  0.75047534  1.0
  Ir  Ir21  1  0.15087109  0.15174306  0.74952466  1.0
  Ir  Ir22  1  0.15202184  0.84797816  0.25000000  1.0
  Ir  Ir23  1  0.65323759  0.34676241  0.75000000  1.0
  Ir  Ir24  1  0.65205227  0.65180607  0.24995486  1.0
  Ir  Ir25  1  0.34819393  0.34794773  0.25004514  1.0
  Ir  Ir26  1  0.34796614  0.65203386  0.75000000  1.0
  Os  Os27  1  0.49983553  0.99958278  0.12508879  1.0
  Os  Os28  1  0.49973344  0.99957104  0.62415210  1.0
  Os  Os29  1  0.00042896  0.50026656  0.87584790  1.0
  Os  Os30  1  0.00041722  0.50016447  0.37491121  1.0
  Pt  Pt31  1  0.84686486  0.15313514  0.25000000  1.0

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